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F. Valach, M. Tokarcik, T. Maris, D.J. Watkin, C.K. Prout

Bond-valence approach to the copper-copper and copper-oxygen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-fluoro-benzoato-O,O´)-bis(2-fluorobenzoate-O) dicopper(II)

The crystal and molecular structure of tetrakis(2-fluorobenzoato-O,O´)-bis(2-fluorobenzoate-O) dicopper(II) - C₄₂H₂₆Cu₂F₆₀O₁₂ - has been determined at room temperature. The blue-green crystals are monoclinic, space group P2₁/n (No.14), with unit cell parameters a=10.633(3) Å, b= 12.528(3) Å, c=14.729(3) Å, β = 91.62(4)°, Z= 2, D_m= 1.62 and D_x= 1.64 g/cm³. The final R value for independent reflections is equal to 0.045. The structure consists of two centrosymmetric units [Cu₂(2FbzO)₄(2HFbzO)₂] (abbreviation 2FbzO stands for 2-fluorobenzoate, abbr. 2HFbzO for 2-fluorobezoic acid). These units are mutually held by Van der Waals forces. Within the binuclear unit the Cu atom is pentacoordinated by four carboxylic O atoms in the basal plane of tetragonal pyramid (Cu–O bond lengths being 1.962(3) Å, 1.963(2) Å, 1.958(2) Å and 1.996(2) Å and one apical O atom from HFbzO molecule, with Cu-O bond length 2.193(2) Å. The apical Cu(II)–O bond length predicted by bond valence method is 2.16 Å. The Cu...Cu distance is 2.6086(8) Å and the displacement of Cu atom from the basal plane is 0.1905(6) Å. Nonbonding character of Cu(II)...Cu(II) contact in 16 binuclear carboxylic complexes is proved.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 215, 01/2000
Pages: 56

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